Quantitative local structure determination in mica crystals: Ab initio simulations of polarization XANES at the potassium K-edge

Journal of Synchrotron Radiation

Volumn 18, Issue 3, 2011, Pages 418-426

  Xu, Wei ^a   Chen, Dongliang ^a   Chu, Wangsheng ^a   Wu, Ziyu ^a,b,c   Marcelli, Augusto ^b,d   Mottana, Annibale ^d,e   Soldatov, Alexander ^f   Brigatti, Maria Franca ^g  

^a INSTITUTE OF HIGH ENERGY PHYSICS   (China)

^b UNIVERSITY OF SCIENCE AND TECHNOLOGY OF CHINA   (China)

^c INSTITUTE OF GEOLOGY AND GEOPHYSICS   (China)

^d INFN LABORATORI NAZIONALI DI FRASCATI   (Italy)

^e ROMA TRE UNIVERSITY   (Italy)

^f SOUTHERN FEDERAL UNIVERSITY   (Russian Federation)

^g UNIVERSITY OF MODENA AND REGGIO EMILIA   (Italy)

Author keywords

angle resolved XANES; layered structure; mica; muffin tin potentials; multiple scattering theory

Indexed keywords

AB INITIO CALCULATIONS; AB INITIO SIMULATIONS; ATOMIC SITES; BEST FIT; ELECTRONIC INTERACTIONS; EXPERIMENTAL DATA; HIGHLY-CORRELATED; LAYERED STRUCTURE; LAYERED STRUCTURES; LAYERED SYSTEMS; LOCAL STRUCTURE; MICA CRYSTALS; MUFFIN-TIN POTENTIALS; MULTIPLE-SCATTERING-THEORY; OCTAHEDRAL SHEETS; SINGLE CRYSTAL X-RAY DIFFRACTION; STRUCTURAL DISTORTIONS; XANES; XRD;

ATOMIC SPECTROSCOPY; CALCULATIONS; MICA; SCATTERING; SILICATE MINERALS; TIN; X RAY DIFFRACTION;

CRYSTAL STRUCTURE;

EID: 79955554885     PISSN: 09090495     EISSN: 16005775     Source Type: Journal    
DOI: 10.1107/S0909049511002949     Document Type: Article

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